2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide

C21H18ClN5O2 — CID 1433797

IUPAC2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)NCCc1ccccc1
InChIInChI=1S/C21H18ClN5O2/c22-17-8-4-5-9-18(17)27-20-16(12-25-27)21(29)26(14-24-20)13-19(28)23-11-10-15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,23,28)
InChIKeyLSXSCGPBMSLTLL-UHFFFAOYSA-N
MW407.86 g/mol
LogP2.59
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide

2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide (PubChem CID 1433797) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
PubChem CID1433797
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)NCCc1ccccc1
InChIInChI=1S/C21H18ClN5O2/c22-17-8-4-5-9-18(17)27-20-16(12-25-27)21(29)26(14-24-20)13-19(28)23-11-10-15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,23,28)
InChIKeyLSXSCGPBMSLTLL-UHFFFAOYSA-N
XLogP2.59
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 1445402
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 1433748
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
N-[2-(4-chlorophenyl)ethyl]-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 55377627
1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433738
3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide
CID 16882380
N-[(2-chlorophenyl)methyl]-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799484
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 8521152
N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559368
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 16798495
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide (CID 1433797) is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)NCCc1ccccc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is LSXSCGPBMSLTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c22-17-8-4-5-9-18(17)27-20-16(12-25-27)21(29)26(14-24-20)13-19(28)23-11-10-15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,23,28).
What are the key properties of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide?
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 407.86 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1433797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).